SCHEMBL2472847

SCHEMBL2472847

Cc1cccnc1[C@@H]1CCC[C@H](c2ncccc2C)N1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.43
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
OPRM1 P35372 1/20 0.37
METAP2 P50579 1/20 0.37
PDE10A Q9Y233 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CXCR4 P61073 1/20 0.34
CHRNA7 P36544 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2472323 1.00 OPRL1 (0.43) OPRL1NOS3NOS1NOS2OPRM1
SCHEMBL30586977 1.00 OPRL1 (0.43) OPRL1NOS3NOS1NOS2OPRM1
SCHEMBL22854107 0.84 OPRL1 (0.36) OPRL1NOS3NOS1NOS2OPRM1
SCHEMBL2473071 0.84 OPRL1 (0.34) OPRL1OPRM1
SCHEMBL15387102 0.84 OPRL1 (0.36) OPRL1OPRM1
SCHEMBL24141877 0.84 OPRL1 (0.36) OPRL1OPRM1METAP2CXCR4
SCHEMBL2476900 0.84 OPRL1 (0.34) OPRL1OPRM1
SCHEMBL24141895 0.84 OPRL1 (0.36) OPRL1OPRM1METAP2CXCR4
SCHEMBL19464253 0.83 CHRNB2 (0.50) OPRL1CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL20851551 0.83 CHRNB2 (0.50) OPRL1CYP2A6CHRNB2CHRNA4CHRNA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183652-A1 DUAL CXCR4-BTK INHIBITORS X4 PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
WO-2023183652-A1 DUAL CXCR4-BTK INHIBITORS X4 PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
WO-2023107689-A1 METHODS FOR TREATING PRIMARY IMMUNODEFICIENCY X4 PHARMACEUTICALS, INC. (US) 2023-06-15 WO disclosed
EP-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 EP disclosed
EP-1809613-B1 METHOD OF MAKING A 2,6-DIARYL PIPERIDINE DERIVATIVE GENZYME CORP (US) 2013-09-04 EP disclosed
EP-1615633-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2012-08-15 EP disclosed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ANORMED CORPORATION (CA) 2005-07-14 US disclosed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ALDH7A1, DPYD, ALDH1A1 OPRL1 1945/4885NOS3 2111/4885NOS1 1491/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 OPRL1 101/4885NOS3 3770/4885NOS1 3563/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.